materialsproject / MPContribsLinks
Platform for materials scientists to contribute and disseminate their materials data through Materials Project
☆39Updated last week
Alternatives and similar repositories for MPContribs
Users that are interested in MPContribs are comparing it to the libraries listed below
Sorting:
- Project to setup and analyze interface calculations using density functional theory.☆22Updated last week
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated last week
- Atomistic Manipulation Toolkit☆36Updated 3 weeks ago
- ☆21Updated 5 years ago
- A Basic Symmetry Module (Python)☆17Updated 5 months ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆33Updated this week
- A real-space DFT code☆16Updated 4 years ago
- LAMMPS plugin for AiiDA☆25Updated this week
- ase interface for Quantum Espresso☆22Updated 4 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆31Updated last month
- AiiDA tutorials web site☆24Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 2 weeks ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Defect analysis modules for pymatgen☆55Updated last week
- ☆23Updated 3 weeks ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last month
- Python library written in C++ for calculation of local atomic structural environment☆67Updated last year
- A module for ASE for elastic constants calculation.☆46Updated 7 months ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Updated 2 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Specification of a common REST API for access to materials databases☆94Updated 2 months ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆26Updated 2 years ago
- A framework for processing adsorption data and isotherm fitting☆74Updated 6 months ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆37Updated 6 months ago
- ☆68Updated 2 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 10 months ago
- More efficient and faster version of pyscal☆22Updated 4 months ago
- ☆21Updated last year